P450 SOM predictor

Combining site-of-metabolism and reactivity for (P450) site-of-metabolism prediction. Includes structure-based predictor (from OpenRiskNet partner VU) and third-party (University of Copenhagen) reactivity predictor (SMARTCyp).

For developers
For end-users
Processing and analysis
Applicability domain:
Predictive toxicology
Structure-activity relationship (SAR / QSAR)
Targeted industry:
Drugs, Chemicals
Targeted users:
Relevant OpenRiskNet case study:
MetaP - Metabolism Prediction

Provided by:
Vrije Universiteit Amsterdam
Login required:
Integration status:
Integration in progress
Service integration operations completed:
Utilises the OpenRiskNet APIs to ensure that each service is accessible to our proposed interoperability layer.
Is annotated according to the semantic interoperability layer concept using defined ontologies.
Is containerised for easy deployment in virtual environments of OpenRiskNet instances.
Has documented scientific and technical background.
Is deployed into the OpenRiskNet reference environment.
Is listed in the OpenRiskNet discovery services.
Is listed in other central repositories like eInfraCentral, bio.tools and TeSS (ELIXIR).
Provides legal and ethical statements on how the service can be used.